3MF1
Crystal structure of class II aaRS homologue (Bll0957) complexed with an analogue of glycyl adenylate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-21 |
| Detector | OXFORD RUBY CCD |
| Wavelength(s) | 1.54056 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 128.092, 101.304, 50.479 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.410 - 2.200 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.22800 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.020 |
| Data reduction software | CrysalisPro (Pro) |
| Data scaling software | SCALA (CCP4_3.3.9) |
| Phasing software | REFMAC (5.2) |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.820 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.120 | 0.550 |
| Total number of observations | 48773 | |
| Number of reflections | 33974 | |
| <I/σ(I)> | 17.7372 | |
| Completeness [%] | 99.6 | 99.39 |
| Redundancy | 10.04 | 10.08 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 4.6 | 291 | PEG 4000, gycerol, pH 4.6, hanging drop, temperature 291K |
